CID 72074

Amicarbalide

Structural Information

Molecular Formula
C15H16N6O
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C15H16N6O/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22)
InChIKey
KRUVSRGJKCHYMY-UHFFFAOYSA-N
Compound name
1,3-bis(3-carbamimidoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

275
Patents

296.13855 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14583 167.1
[M+Na]+ 319.12777 170.2
[M-H]- 295.13127 173.0
[M+NH4]+ 314.17237 179.3
[M+K]+ 335.10171 166.7
[M+H-H2O]+ 279.13581 158.0
[M+HCOO]- 341.13675 193.6
[M+CH3COO]- 355.15240 219.0
[M+Na-2H]- 317.11322 170.1
[M]+ 296.13800 158.7
[M]- 296.13910 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.